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Substance Name: Tauro-3beta-hydroxy-5-cholenoate
RN: 17238-48-1
InChIKey: SVXBFWHRSNVSLG-ROVRTUHXSA-M

Molecular Formula

  • C26-H43-N-O5-S.Na

Molecular Weight

  • 503.676
 
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Names and Synonyms

Name of Substance

  • Tauro-3beta-hydroxy-5-cholenoate

Synonym

  • Tauro-3beta-hydroxy-5-cholenoate sulfate

Systematic Name

  • Ethanesulfonic acid, 2-(((3beta)-3-hydroxy-24-oxochol-5-en-24-yl)amino)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 17238-48-1

System Generated Number

  • 0017238481

Molecular Formulas

Molecular Formula

  • C26-H43-N-O5-S.Na

Molecular Formula Fragments

  • C26-H43-N-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H43NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h5,17,19-23,28H,4,6-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,19+,20?,21-,22?,23?,25+,26-;/m1./s1

InChIKey

SVXBFWHRSNVSLG-ROVRTUHXSA-M

Smiles

[Na+].C(CNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@@H]3CC[C@@]12C)C)O)C)=O)S(=O)(=O)[O-]